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  1. Third-Parties
  2. MatprojStructure
  3. mp-743548

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-743548
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['K', 'Cr', 'H', 'C', 'O']
  • Chemical System: C-Cr-H-K-O
  • Density: 1.6713138692271887
  • Atomic Density: 0.05694427533296833
  • Unit Cell Volume: 1685.858665136442
  • Molar Volume: 10.575498107205583
  • Full Formula: K4 Cr8 H4 C40 O40
  • Reduced Formula: KCr2H(CO)10
  • Formula Anonymous: ABC2D10E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -727.06374771
  • Final energy per atom: -7.573580705312501
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.